REMARK Name = BDB007151 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.879 4.183 -1.861 0.00 0.00 +0.046 C ATOM 2 C LIG 1 2.614 3.016 -0.973 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.347 2.391 -0.756 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.538 1.341 0.143 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.472 0.526 0.568 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.807 0.785 0.064 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -1.020 1.822 -0.847 0.00 0.00 +0.037 A ATOM 8 N LIG 1 2.886 1.325 0.466 0.00 0.00 -0.339 N ATOM 9 C LIG 1 0.048 2.636 -1.250 0.00 0.00 +0.023 A ATOM 10 C LIG 1 3.545 2.346 -0.193 0.00 0.00 +0.020 A ATOM 11 C LIG 1 5.008 2.601 -0.046 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.371 2.116 -1.397 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -3.213 1.036 -1.544 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -2.850 0.101 -1.427 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -2.673 3.259 -1.719 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.541 1.170 -2.119 0.00 0.00 +0.101 C ATOM 17 C LIG 1 -4.475 1.331 -3.642 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -5.392 -0.008 -1.679 0.00 0.00 -0.024 A ATOM 19 C LIG 1 -6.270 0.146 -0.592 0.00 0.00 +0.051 A ATOM 20 C LIG 1 -7.061 -0.914 -0.134 0.00 0.00 +0.121 A ATOM 21 C LIG 1 -6.957 -2.156 -0.754 0.00 0.00 +0.045 A ATOM 22 C LIG 1 -6.078 -2.333 -1.825 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -5.299 -1.269 -2.283 0.00 0.00 +0.006 A BRANCH 20 24 ATOM 24 O LIG 1 -7.864 -0.599 0.926 0.00 0.00 -0.489 OA BRANCH 24 25 ATOM 25 C LIG 1 -8.859 -1.535 1.352 0.00 0.00 +0.167 C ATOM 26 C LIG 1 -8.282 -2.441 2.435 0.00 0.00 +0.051 C ATOM 27 C LIG 1 -10.018 -0.717 1.917 0.00 0.00 +0.051 C ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 28 ATOM 28 C LIG 1 3.502 0.395 1.413 0.00 0.00 +0.157 C BRANCH 28 29 ATOM 29 C LIG 1 4.335 -0.672 0.739 0.00 0.00 -0.024 A ATOM 30 C LIG 1 5.647 -0.923 1.186 0.00 0.00 +0.051 A ATOM 31 C LIG 1 6.426 -1.920 0.595 0.00 0.00 +0.122 A ATOM 32 C LIG 1 5.885 -2.684 -0.441 0.00 0.00 +0.046 A ATOM 33 C LIG 1 4.584 -2.457 -0.886 0.00 0.00 +0.004 A ATOM 34 C LIG 1 3.811 -1.459 -0.297 0.00 0.00 +0.005 A BRANCH 31 35 ATOM 35 O LIG 1 7.708 -2.255 0.930 0.00 0.00 -0.478 OA BRANCH 35 36 ATOM 36 C LIG 1 8.402 -1.471 1.911 0.00 0.00 +0.278 C ATOM 37 C LIG 1 8.119 -2.008 3.307 0.00 0.00 +0.064 C BRANCH 36 38 ATOM 38 C LIG 1 9.899 -1.603 1.624 0.00 0.00 +0.346 C ATOM 39 O LIG 1 10.780 -1.113 2.316 0.00 0.00 -0.247 OA BRANCH 38 40 ATOM 40 O LIG 1 10.170 -2.315 0.501 0.00 0.00 -0.478 OA ATOM 41 H LIG 1 9.327 -2.620 0.099 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 11